N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-2-(4-prop-2-enylpiperazin-1-yl)ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-2-(4-prop-2-enylpiperazin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-allylpiperazin-1-yl)-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-oxo-2-(4-prop-2-enyl-1-piperazinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-allylpiperazino)-2-keto-acetamide Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCN(CC2)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C23H29N7O3/c1-3-11-29-12-14-30(15-13-29)23(33)22(32)28-20-16-19(25-10-9-24-17(2)31)26-21(27-20)18-7-5-4-6-8-18/h3-8,16H,1,9-15H2,2H3,(H,24,31)(H2,25,26,27,28,32)